ethyl [4-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0711 |
| Compound Name: | ethyl [4-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Smiles: | CCOC(CC1=CC(=Nc2cc(C)c(C)cc2N1)SCC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6818 |
| logD: | 3.6817 |
| logSw: | -3.8871 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.307 |
| InChI Key: | HQASSEKGMODBNT-UHFFFAOYSA-N |